Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 2/20 | 0.62 |
| ▸ | CCR1 | P32246 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8801074 | 0.90 | CTSD (0.69) | CTSDCCR1OPRM1OPRK1TMEM97 | |
| SCHEMBL8801114 | 0.87 | CTSD (0.66) | CTSDCCR1OPRM1OPRK1TMEM97 | |
| SCHEMBL6446189 | 0.83 | CCR1 (0.53) | CTSDCCR1OPRM1OPRK1TMEM97 | |
| SCHEMBL8800567 | 0.83 | CTSD (0.61) | CTSDCCR1ALDH1A1MAPTHDAC1 | |
| SCHEMBL6446710 | 0.82 | CCR1 (0.60) | CTSDCCR1OPRM1OPRK1TMEM97 | |
| SCHEMBL6447672 | 0.82 | CCR1 (0.60) | CTSDCCR1OPRM1OPRK1TMEM97 | |
| SCHEMBL6448536 | 0.82 | CCR1 (0.60) | CTSDCCR1OPRM1OPRK1TMEM97 | |
| SCHEMBL7298042 | 0.82 | CTSD (0.60) | CTSDCCR1CTSKCTSLCTSB | |
| SCHEMBL7299914 | 0.82 | CASP3 (0.49) | CTSD | |
| SCHEMBL8800743 | 0.82 | CTSD (0.59) | CTSDCCR1ALDH1A1MAPTHDAC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0575097-B1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | LILLY CO ELI (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5578608-A | HIV PROTEASE INHIBITOR | ELI LILLY AND COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| EP-0575097-A1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | ELI LILLY AND COMPANY (US) | 1993-12-22 | — | — | EP | disclosed |